Information card for entry 4078681

Structure parameters

• Formula: C33 H28 Cl N2 P Pd
• Calculated formula: C33 H28 Cl N2 P Pd
• SMILES: [Pd]12(N(c3ccccc3C=[N]2c2ccccc2[P]1(c1ccccc1)c1ccccc1)c1c(cccc1C)C)Cl
• Title of publication: Synthesis and Characterization of Nickel(II) and Palladium(II) Complexes based on Tridentate [N‒NP] and [N‒NS] Ligands and Their Applications in Norbornene Polymerization
• Authors of publication: Shi, Xiao-Chao; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4748
• a: 9.1849 ± 0.0009 Å
• b: 17.4421 ± 0.0016 Å
• c: 17.5158 ± 0.0016 Å
• α: 90°
• β: 104.405 ± 0.002°
• γ: 90°
• Cell volume: 2717.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No